Information card for entry 4113099

Structure parameters

• Formula: C22 H42 Cl2 Fe O4 Si4
• Calculated formula: C22 H42 Cl2 Fe O4 Si4
• SMILES: [Fe]1([Si](Cl)([Si]1(Cl)[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes
• Authors of publication: Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13628 - 13629
• a: 15.376 ± 0.003 Å
• b: 11.174 ± 0.002 Å
• c: 18.51 ± 0.003 Å
• α: 90°
• β: 100.535 ± 0.002°
• γ: 90°
• Cell volume: 3126.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No